The criterion of minimum state density in unimolecular rate theory. An application to ethane dissociation
- 15 March 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (6), 2442-2449
- https://doi.org/10.1063/1.432545
Abstract
The application of the criterion of minimum state density is described and a model potential energy function is determined for ethane dissociation. Comparisons are made between thermal rate constants calculated using the RRKM and activated complex theories. Activated complex structures are chosen by a Boltzmann average of the minimum state density criterion.Keywords
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